2-(2-methyl-3-sulfanyl-propanoyl)-1,3-dihydroisoindole-1-carboxylic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)-1,3-dihydroisoindole-1-carboxylic acid Openeye Name: 2-(2-methyl-3-sulfanyl-propanoyl)isoindoline-1-carboxylic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropyl)-1,3-dihydroisoindole-1-carboxylic acid IUPAC Name: 2-(2-methyl-3-sulfanylpropanoyl)-1,3-dihydroisoindole-1-carboxylic acid Traditional Name: 2-(3-mercapto-2-methyl-propanoyl)isoindoline-1-carboxylic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC2=CC=CC=C2C1C(=O)O

Isomeric SMILES

CC(CS)C(=O)N1CC2=CC=CC=C2C1C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-8(7-18)12(15)14-6-9-4-2-3-5-10(9)11(14)13(16)17/h2-5,8,11,18H,6-7H2,1H3,(H,16,17)